β-Secretase (BACE1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer’s Disease

Hans Hilpert, Wolfgang Guba, Thomas J. Woltering, +19

Journal of Medicinal Chemistry

Neurochemical BiomarkersPharmacotherapyAlzheimer ’Pre-clinical PharmacologyMolecular Pharmacology +22

Opening and Closure of the Fullerene Cage in <i>cis</i>‐Bisimino Adducts of C₆₀: The Influence of the Addition Pattern and the Addend

Georg Schick, Andreas Hirsch, Harald Mauser, +1

Chemistry - A European Journal

Inorganic ChemistryChemical EngineeringEngineeringHeterocyclicC 60 +11

Stabilization of Atomic Nitrogen Inside C₆₀

Harald Mauser, Andreas Hirsch, Nicolaas J. R. van Eikema Hommes, +4

Angewandte Chemie International Edition in English

Esr InvestigationsEngineeringConcave Inner FacePhysicsNatural Sciences +10

Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods

Martin Ståhl, Harald Mauser

Journal of Chemical Information and Modeling

Cluster ComputingEngineeringHit IdentificationBiometricsMolecular Biology +22

Ensemble Methods for Classification in Cheminformatics

Christian Merkwirth, Harald Mauser, Tanja Schulz‐Gasch, +3

Journal of Chemical Information and Computer Sciences

EngineeringMachine LearningEnsemble MethodsClassification MethodData Science +14

Recent developments in de novo design and scaffold hopping.

Harald Mauser, Wolfgang Guba

PubMed

EngineeringMolecular BiologyBiofabricationChemical BiologyMolecular Design +15

A validation study on the practical use of automated de novo design

Martin Ståhl, Nikolay P. Todorov, Tim James, +3

Journal of Computer-Aided Molecular Design

CO₂ Fixation by Rubisco:  Computational Dissection of the Key Steps of Carboxylation, Hydration, and C−C Bond Cleavage

Harald Mauser, William A. King, Jill E. Gready, +1

Journal of the American Chemical Society

Chemical Fragment Spaces for de novo Design

Harald Mauser, Martin Ståhl

Journal of Chemical Information and Modeling

EngineeringStructural BioinformaticsMolecular BiologyChemistryMolecular Design +19

BACE1 inhibitors: A head group scan on a series of amides

Thomas J. Woltering, Wolfgang Wostl, Hans Hilpert, +16

Bioorganic & Medicinal Chemistry Letters

Medicinal ChemistryBioorganic ChemistryBiochemistryBace1 InhibitorsNatural Sciences +11